BDBM50135793 CHEMBL358104::di[17-cyclopropylmethyl-(10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] sebacate

SMILES: O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1

InChI Key: InChIKey=FHSWVEPGYSZCOZ-UBHOSDFBSA-N

Data: 3 KI  1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50135793   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135793 (CHEMBL358104 | di[17-cyclopropylmethyl-(10R)-17-az...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-11-7-9-23-49(41,43(37)31-39)25-27-51(45)33-35-15-16-35)13-5-3-1-2-4-6-14-48(54)56-40-22-20-38-30-46-42-12-8-10-24-50(42,44(38)32-40)26-28-52(46)34-36-17-18-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135793 (CHEMBL358104 | di[17-cyclopropylmethyl-(10R)-17-az...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-11-7-9-23-49(41,43(37)31-39)25-27-51(45)33-35-15-16-35)13-5-3-1-2-4-6-14-48(54)56-40-22-20-38-30-46-42-12-8-10-24-50(42,44(38)32-40)26-28-52(46)34-36-17-18-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50135793 (CHEMBL358104 | di[17-cyclopropylmethyl-(10R)-17-az...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-11-7-9-23-49(41,43(37)31-39)25-27-51(45)33-35-15-16-35)13-5-3-1-2-4-6-14-48(54)56-40-22-20-38-30-46-42-12-8-10-24-50(42,44(38)32-40)26-28-52(46)34-36-17-18-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity against Opioid receptor delta 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]naltrindole radioligand				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50135793 (CHEMBL358104 | di[17-cyclopropylmethyl-(10R)-17-az...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-11-7-9-23-49(41,43(37)31-39)25-27-51(45)33-35-15-16-35)13-5-3-1-2-4-6-14-48(54)56-40-22-20-38-30-46-42-12-8-10-24-50(42,44(38)32-40)26-28-52(46)34-36-17-18-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity was determined in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor mu 1 in chinese Hamster Ovary (CHO)membra...				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50135793 (CHEMBL358104 | di[17-cyclopropylmethyl-(10R)-17-az...) Show SMILES O=C(CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 Show InChI InChI=1S/C50H68N2O4/c53-47(55-39-21-19-37-29-45-41-11-7-9-23-49(41,43(37)31-39)25-27-51(45)33-35-15-16-35)13-5-3-1-2-4-6-14-48(54)56-40-22-20-38-30-46-42-12-8-10-24-50(42,44(38)32-40)26-28-52(46)34-36-17-18-36/h19-22,31-32,35-36,41-42,45-46H,1-18,23-30,33-34H2/t41-,42-,45+,46+,49+,50+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.90	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes wa...				J Med Chem 46: 5162-70 (2003) Article DOI: 10.1021/jm030139v BindingDB Entry DOI: 10.7270/Q2GX4C9C
					More data for this Ligand-Target Pair